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Djalonensone

CAT: 0607-BA1091-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0607-BA1091-1Size:1 mg
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CAS Number
23452-05-3
Form
A solid
Molecular Formula
C15H12O5
Molecular Weight
272.26
Shipping Conditions
Blue ice
Storage Conditions
4°C.

Chemical Information

Alternariol monomethyl ether

Djalonensone is a benzochromenone that is alternariol in which the hydroxy group at position 9 has been converted into the corresponding methyl ether. A natural product found in Chaetomium globosum as well as being one of the two most important compounds belonging to the group of Altenaria mycotoxins. It has a role as a mycotoxin, an antifungal agent and a fungal metabolite. It is an aromatic ether and a benzochromenone. It is functionally related to an alternariol.

CAS Number23452-05-3
PubChem CID5360741
IUPAC Name3,7-dihydroxy-9-methoxy-1-methylbenzo[c]chromen-6-one
Molecular FormulaC15H12O5
Molecular Weight272.25
XLogP3.2
Topological Polar Surface Area76
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity384
SMILES
CC1=CC(=CC2=C1C3=C(C(=CC(=C3)OC)O)C(=O)O2)O
InChI
InChI=1S/C15H12O5/c1-7-3-8(16)4-12-13(7)10-5-9(19-2)6-11(17)14(10)15(18)20-12/h3-6,16-17H,1-2H3
InChIKey
LCSDQFNUYFTXMT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Alternariol monomethyl ether
CAS: 23452-05-3
CID: 5360741
Formula: C15H12O5
MW: 272.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight272.25
XLogP33.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass272.06847348
Monoisotopic Mass272.06847348
Topological Polar Surface Area76 Ų
Heavy Atom Count20
Formal Charge0
Complexity384
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-W013863-01Djalonensone
HY-W013863SDjalonensone-d3
207042-01Alternariol Monomethyl Ether (9-O-Methylalternariol, Djalonensone, AME, BRN 0253553, 3,7-Dihydroxy-9-methoxy-1-methyl-6H-benzo[c]chromen-6-one)

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